3-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C14H16N6OS2 MolecularWeight: 348.44644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NN=C(S1)SCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C)CNC1=NN=C(S1)SCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C14H16N6OS2/c1-9(2)7-15-13-17-18-14(23-13)22-8-20-12(21)10-5-3-4-6-11(10)16-19-20/h3-6,9H,7-8H2,1-2H3,(H,15,17)